17-alpha-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione acetate

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17-alpha-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione acetate

Also known as: 58652-20-3, Nomegestrol 17-acetate, Tx 066, Tx-066, 19-norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-, Nomegestrol acetate [usan]

Molecular Formula

C₂₃H₃₀O₄

Molecular Weight

370.5 g/mol

InChI Key

IIVBFTNIGYRNQY-YQLZSBIMSA-N

FDA UNII

83J78V5W05

Nomegestrol acetate, also known as NOMAC, is a progestin used in oral contraceptives, menopausal hormone therapy, and for the treatment of gynecological disorders.

1 2D Structure

17-alpha-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione acetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate

2.1.2 InChI

InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3/t17-,18-,20-,21+,22+,23+/m1/s1

2.1.3 InChI Key

IIVBFTNIGYRNQY-YQLZSBIMSA-N

2.1.4 Canonical SMILES

CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4C1=CC(=O)CC4

2.1.5 Isomeric SMILES

CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@H]4C1=CC(=O)CC4

2.2 Other Identifiers

2.2.1 UNII

83J78V5W05

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tx 066

2. Tx-066

2.3.2 Depositor-Supplied Synonyms

1. 58652-20-3

2. Nomegestrol 17-acetate

3. Tx 066

4. Tx-066

5. 19-norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-

6. Nomegestrol Acetate [usan]

7. Org 10486-0

8. [(8s,9s,10r,13s,14s,17r)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] Acetate

9. Org-10486-0

10. Mls002154113

11. 17-alpha-acetoxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione

12. 17-alpha-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione Acetate

13. Nomegestrone Acetate

14. 83j78v5w05

15. Nomegestrol Acetate (usan)

16. Nomac

17. Lutenyl

18. Uniplant

19. 17-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione 17-acetate

20. Lutenyl (tn)

21. Einecs 261-379-8

22. Unii-83j78v5w05

23. Nomegestrol-acetate

24. Prestwick3_001033

25. Schembl37517

26. Bspbio_001245

27. Bpbio1_001370

28. Chembl1476022

29. Dtxsid90207349

30. Chebi:135564

31. Nomegestrol Acetate:17alpha-acetoxy-6alpha-methyl-19-nor-pregn-4,6-dien-3,20-dione

32. Hms2098o07

33. Hms2230m23

34. Hms3715o07

35. Bcp08358

36. Nomegestrol Acetate [mart.]

37. Zinc3938628

38. Nomegestrol Acetate [who-dd]

39. 19-norpregna-4,6-diene-3,20-dione, 17-alpha-hydroxy-6-methyl-, Acetate

40. Akos015896563

41. Nomegestrol Acetate, >=98% (hplc)

42. Ac-1119

43. Ccg-221033

44. Db13981

45. Hy-105634a

46. Ncgc00179247-01

47. Ncgc00179247-04

48. Nomegestrol Acetate [ep Monograph]

49. Smr001233420

50. Ab00514012

51. Cs-0101964

52. D08281

53. 652n203

54. Sr-01000841206

55. Q7048519

56. Sr-01000841206-2

57. W-105372

58. Brd-k27351809-001-02-0

59. (17alpha)-17-acetyl-6-methyl-3-oxoestra-4,6-dien-17-yl Acetate

60. 17-acetoxy-6-methyl-19-norpregn-4,6-dien-3,20-dione

61. 6-methyl-3,20-dioxo-19-norpregna-4,6-dien-17-yl Acetate

62. Nomegestrol Acetate, European Pharmacopoeia (ep) Reference Standard

63. 17-alpha-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dioneacetate

64. (8s,9s,13s,14s,17r)-17-acetyl-6,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl Acetate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₀O₄
Molecular Weight	370.5 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	370.21440943 g/mol
Monoisotopic Mass	370.21440943 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	775
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1